4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one

C9H14ClNO2 — CID 168687103

IUPAC4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1CC1CCCO1
InChIInChI=1S/C9H14ClNO2/c10-7-4-9(12)11(5-7)6-8-2-1-3-13-8/h7-8H,1-6H2
InChIKeySEOBMHHZRJUZJL-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.01
Rot. Bonds2

About 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one

4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 168687103) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
PubChem CID168687103
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1CC1CCCO1
InChIInChI=1S/C9H14ClNO2/c10-7-4-9(12)11(5-7)6-8-2-1-3-13-8/h7-8H,1-6H2
InChIKeySEOBMHHZRJUZJL-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-2-one
CID 28815490
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741
4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid
CID 115103049
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
CID 112519843
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
4-chloro-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 168686789
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
CID 117014385
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one (CID 168687103) is 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one is O=C1CC(Cl)CN1CC1CCCO1.
What is the InChIKey of 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is SEOBMHHZRJUZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c10-7-4-9(12)11(5-7)6-8-2-1-3-13-8/h7-8H,1-6H2.
What are the key properties of 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 203.67 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168687103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).